2-tert-butyl-6-[[1-[(3-tert-butyl-5-methyl-4-oxidanyl-phenyl)methyl]-1,3-diazinan-1-ium-1-yl]methyl]-4-methyl-phenol

Systemtic Name: 2-tert-butyl-6-[[1-[(3-tert-butyl-5-methyl-4-oxidanyl-phenyl)methyl]-1,3-diazinan-1-ium-1-yl]methyl]-4-methyl-phenol Openeye Name: 2-tert-butyl-6-[[1-[(3-tert-butyl-4-hydroxy-5-methyl-phenyl)methyl]hexahydropyrimidin-1-ium-1-yl]methyl]-4-methyl-phenol CAS Name: 2-tert-butyl-6-[[1-[(3-tert-butyl-4-hydroxy-5-methylphenyl)methyl]-1,3-diazinan-1-ium-1-yl]methyl]-4-methylphenol IUPAC Name: 2-tert-butyl-6-[[1-[(3-tert-butyl-4-hydroxy-5-methylphenyl)methyl]-1,3-diazinan-1-ium-1-yl]methyl]-4-methylphenol Traditional Name: 2-tert-butyl-6-[[1-(3-tert-butyl-4-hydroxy-5-methyl-benzyl)hexahydropyrimidin-1-ium-1-yl]methyl]-4-methyl-phenol Formula: C28H43N2O2+ MolecularWeight: 439.65322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C(C)(C)C)O)C[N+]2(CCCNC2)CC3=CC(=C(C(=C3)C(C)(C)C)O)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C(C)(C)C)O)C[N+]2(CCCNC2)CC3=CC(=C(C(=C3)C(C)(C)C)O)C

InChI

InChI=1S/C28H42N2O2/c1-19-12-22(26(32)23(13-19)27(3,4)5)17-30(11-9-10-29-18-30)16-21-14-20(2)25(31)24(15-21)28(6,7)8/h12-15,29H,9-11,16-18H2,1-8H3,(H-,31,32)/p+1